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SCHEMBL7547298

SCHEMBL7547298

Cc1ccc(NC(=O)Nc2ccc(CC(=O)NC(CC(C)C)C(=O)NC(CNCCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 10/20 0.42
▸ ITGA4 P13612 10/20 0.42
▸ MMP2 P08253 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ ANPEP P15144 2/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ FPR2 P25090 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7541044 1.00 ITGB1 (0.42) ITGB1ITGA4MMP2MAPTANPEP
SCHEMBL7545718 0.94 ITGB1 (0.45) ITGB1ITGA4MMP2MAPTMMP1
SCHEMBL7541296 0.94 ITGB1 (0.45) ITGB1ITGA4MMP2MAPTMMP1
SCHEMBL7544936 0.93 ITGB1 (0.41) ITGB1ITGA4MAPTANPEPFPR2
SCHEMBL7544863 0.93 ITGB1 (0.41) ITGB1ITGA4MAPTANPEPFPR2
SCHEMBL7540987 0.93 GRN (0.41) ITGB1ITGA4MAPTANPEPMAPK1
SCHEMBL7541602 0.93 GRN (0.41) ITGB1ITGA4MAPTANPEPMAPK1
SCHEMBL7565957 0.92 ANPEP (0.50) ITGB1ITGA4MAPTANPEPMMP1
SCHEMBL7539262 0.92 ANPEP (0.50) ITGB1ITGA4MAPTANPEPMMP1
SCHEMBL7545162 0.91 ITGB1 (0.45) ITGB1ITGA4MMP2MAPTANPEP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 — — EP disclosed
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